Related papers: The hybrid surface flux method for the ionization …
We develop a methodology for the calculation of surface free energies based on the probability distribution of a wandering interface. Using a simple extension of the NpT sampling, we allow the interface area to randomly probe the available…
The first numerical simulation of the process of ionization of an atom adsorbed on a metal surface by the subfemtosecond pulse is presented. The streaking scheme is considered, when a weak sub-femtosecond pulse comes together with a strong…
New method for ab initio calculations of the properties of large size system based on phase-amplitude functional is presented. It is shown that Schrodinger equation for many electrons complex system including large size molecules, or…
Generalized impedance boundary conditions are effective, approximate boundary conditions that describe scattering of waves in situations where the wave interaction with the material involves multiple scales. In particular, this includes…
Assuming that the time-evolution of the self-consistent mean field is determined by five pairs of collective coordinate and collective momentum, we microscopically derive the collective Hamiltonian for low-frequency quadrupole modes of…
The reductive perturbation method has been employed to derive the Korteweg-de Vries (KdV) equation for small but finite amplitude ion-acoustic waves. The Lagrangian of the time fractional KdV equation is used in similar form to the…
By applying a simple symmetry reduction on a two-layer liquid model, a nonlocal counterpart of it is obtained. Then a general form of nonlocal nonlinear Schrodinger (NNLS) equation with shifted parity, charge-conjugate and delayed time…
We hybridize the methods of finite element exterior calculus for the Hodge-Laplace problem on differential $k$-forms in $\mathbb{R}^n$. In the cases $k = 0$ and $k = n$, we recover well-known primal and mixed hybrid methods for the scalar…
We present a time-dependent density functional theory (TDDFT) based approach to compute the light-matter couplings between two different manifolds of excited states relative to a common ground state. These quantities are the necessary…
This paper considers an inverse problem for the classical wave equation in an exterior domain. It is a mathematical interpretation of an inverse obstacle problem which employs the dynamical scattering data of acoustic wave over a finite…
Two Hybridizable Discontinuous Galerkin (HDG) schemes for the solution of Maxwell's equations in the time domain are presented. The first method is based on an electromagnetic diffusion equation, while the second is based on Faraday's and…
This paper is concerned with global-in-time, nonoverlapping domain decomposition methods for the mixed formulation of the diffusion problem. Two approaches are considered: one uses the time-dependent Steklov-Poincar\'e operator and the…
Third-order approximate solutions for surface gravity waves in the finite water depth are studied in the context of potential flow theory. This solution provides explicit expressions for the surface elevation, free-surface velocity…
The Schr\"odinger bridge problem is concerned with finding a stochastic dynamical system bridging two marginal distributions that minimises a certain transportation cost. This problem, which represents a generalisation of optimal transport…
Electromagnetically induced transparency-like behavior in the extreme ultraviolet (XUV) is studied theoretically, including the effect of intense 800 nm laser dressing of He 2s2p (1Po) and 2p^2 (1Se) autoionizing states. We present an ab…
The process of nonsequential two-photon double ionization of helium is studied by two complementary numerical approaches. First, the time-dependent Schr{\"o}dinger equation is solved and the final wave function is analyzed in terms of…
It has been found a simple procedure for the general solution of the time-independent Schr\"odinger equation (SE) with the help of quantization of potential area in one dimension without making any approximation. Energy values are not…
Hybrid computational schemes combining the advantages of a method of moments formulation of a field integral equation and T-matrix method are developed in this paper. The hybrid methods are particularly efficient when describing the…
With the aim of efficiently simulating three-dimensional multiphase turbulent flows with a phase-field method, we propose a new discretization scheme for the biharmonic term (the 4th-order derivative term) of the Cahn-Hilliard equation.…
We study traveling wave solutions of an equation for surface waves of moderate amplitude arising as a shallow water approximation of the Euler equations for inviscid, incompressible and homogenous fluids. We obtain solitary waves of…